N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C16H14N2O3S — CID 1247685

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1
InChIInChI=1S/C16H14N2O3S/c1-10-13(7-8-21-10)15(19)18-16-17-14(9-22-16)11-3-5-12(20-2)6-4-11/h3-9H,1-2H3,(H,17,18,19)
InChIKeyITGRZOCGJSVHLP-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.97
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 1247685) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID1247685
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1
InChIInChI=1S/C16H14N2O3S/c1-10-13(7-8-21-10)15(19)18-16-17-14(9-22-16)11-3-5-12(20-2)6-4-11/h3-9H,1-2H3,(H,17,18,19)
InChIKeyITGRZOCGJSVHLP-UHFFFAOYSA-N
XLogP3.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
Furan-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-methyl-amide
CID 862765
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
1-[4-(3-Bromo-4-methoxy-phenyl)-thiazol-2-yl]-3-((E)-3-furan-2-yl-acryloyl)-thiourea
CID 1399679
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
[1-Oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 4377816
4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenol
CID 646727
Furan-2-ylmethyl-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amine
CID 652138
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 738234
4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 746912
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide
CID 862691

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 1247685) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is ITGRZOCGJSVHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-10-13(7-8-21-10)15(19)18-16-17-14(9-22-16)11-3-5-12(20-2)6-4-11/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1247685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).